N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine

C15H32N4 — CID 116911286

IUPACN,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine
SMILESCN1CCC(C(CCCN2CCNCC2)N(C)C)C1
InChIInChI=1S/C15H32N4/c1-17(2)15(14-6-10-18(3)13-14)5-4-9-19-11-7-16-8-12-19/h14-16H,4-13H2,1-3H3
InChIKeyKNBBRKJTIOPXAL-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.55
Rot. Bonds6

About N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine

N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine (PubChem CID 116911286) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine
PubChem CID116911286
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine
SMILESCN1CCC(C(CCCN2CCNCC2)N(C)C)C1
InChIInChI=1S/C15H32N4/c1-17(2)15(14-6-10-18(3)13-14)5-4-9-19-11-7-16-8-12-19/h14-16H,4-13H2,1-3H3
InChIKeyKNBBRKJTIOPXAL-UHFFFAOYSA-N
XLogP0.55
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116909766
2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol
CID 116857325
2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116907508
4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one
CID 116910588
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
1-cyclobutyl-4-piperazin-1-ylbutan-1-amine
CID 116942063
N,N-dimethyl-1-(1-methylpiperidin-3-yl)-2-piperidin-3-ylethanamine
CID 116906863
N,N-dimethyl-1-(1-methylpiperidin-4-yl)-1-piperazin-1-ylmethanamine
CID 116909723
N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230110
(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol
CID 118890170
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine
CID 118887738

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine?
The IUPAC name of N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine (CID 116911286) is N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine is CN1CCC(C(CCCN2CCNCC2)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine?
The InChIKey is KNBBRKJTIOPXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-17(2)15(14-6-10-18(3)13-14)5-4-9-19-11-7-16-8-12-19/h14-16H,4-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine?
N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine has a molecular weight of 268.45 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine is sourced from PubChem (CID 116911286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).